SCHEMBL5583251

SCHEMBL5583251

O=C(OCc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ALDH1A1 P00352 8/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trichloroacetic Acid SCHEMBL8206835 0.86 MAOB (0.47) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL5604684 0.85 MAOB (0.53) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL5583377 0.85 MAOB (0.57) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL20548567 0.84 MAOB (0.56) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL8751735 0.83 GPR35 (0.42) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL258506 0.83 ALDH1A1 (0.56) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL13883939 0.82 MAOB (0.51) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL286962 0.82 MAOB (0.56) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL5932809 0.81 MAOB (0.55) MAOBALDH1A1TSHRHTTNPC1
SCHEMBL602067 0.81 MAOB (0.55) MAOBALDH1A1TSHRHTTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380629-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTOACTIVATED AGENTS VIBRANT HOLDINGS, LLC 2021-12-09 US disclosed
EP-3790985-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTACTIVATED AGENTS Vibrant Holdings, LLC (US) 2021-03-17 EP disclosed
WO-2019217704-A9 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTACTIVATED AGENTS VIBRANT HOLDINGS, LLC (US) 2020-12-10 WO disclosed
WO-2019217704-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTACTIVATED AGENTS VIBRANT HOLDINGS, LLC (US) 2019-11-14 WO disclosed
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
EP-1239332-B1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION, METHOD OF FORMING PATTERN THEREFROM, AND METHOD OF BURNING COATING FILM THEREOF AZ ELECTRONIC MATERIALS USA (US) 2007-02-21 EP disclosed
US-6902875-B2 Photosensitive polysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2005-06-07 US disclosed
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 US disclosed
US-20040081912-A1 Photosensitive polysilazane composition and method of forming patterned polysilazane film AZ ELECTRONIC MATERIALS USA CORP. 2004-04-29 US disclosed
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
US-20030113657-A1 Photosensitive ploysilazane composition, method of forming pattern therefrom, and method of burning coating film thereof MERCK PATENT GMBH (DE) 2003-06-19 US disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO disclosed
EP-1239332-A1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION, METHOD OF FORMING PATTERN THEREFROM, AND METHOD OF BURNING COATING FILM THEREOF CLARIANT INTERNATIONAL LTD. (CH) 2002-09-11 EP disclosed
EP-1164435-A1 PHOTOSENSITIVE POLYSILAZANE COMPOSITION AND METHOD OF FORMING PATTERNED POLYSILAZANE FILM TonenGeneral Sekiyu K.K. (JP) 2001-12-19 EP disclosed
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210380629-A1 METHODS OF SYNTHESIZING A POLYNUCLEOTIDE ARRAY USING PHOTOACTIVATED AGENTS POLN, PCNA, POLM MAOB 1196/4885ALDH1A1 2604/4885TSHR 3755/4885
US-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK MAOB 1362/4885ALDH1A1 2920/4885TSHR 1938/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.